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Details

Stereochemistry EPIMERIC
Molecular Formula C25H34O7
Molecular Weight 446.5333
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6.BETA.-HYDROXYBUDESONIDE

SMILES

[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@@H](O)C5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(OC(CCC)O2)C(=O)CO

InChI

InChIKey=JBVVDXJXIDYDMF-GVTADUIWSA-N
InChI=1S/C25H34O7/c1-4-5-21-31-20-10-15-14-9-17(28)16-8-13(27)6-7-23(16,2)22(14)18(29)11-24(15,3)25(20,32-21)19(30)12-26/h6-8,14-15,17-18,20-22,26,28-29H,4-5,9-12H2,1-3H3/t14-,15-,17+,18-,20+,21?,22+,23-,24-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H34O7
Molecular Weight 446.5333
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 8 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 14:12:48 UTC 2023
Edited
by admin
on Thu Jul 06 14:12:48 UTC 2023
Record UNII
0J80E95H99
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6.BETA.-HYDROXYBUDESONIDE
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 16,17-(BUTYLIDENEBIS(OXY))-6,11,21-TRIHYDROXY-, (6.BETA.,11.BETA.,16.ALPHA.)-
Systematic Name English
Code System Code Type Description
CAS
88411-77-2
Created by admin on Thu Jul 06 14:12:48 UTC 2023 , Edited by admin on Thu Jul 06 14:12:48 UTC 2023
PRIMARY
FDA UNII
0J80E95H99
Created by admin on Thu Jul 06 14:12:48 UTC 2023 , Edited by admin on Thu Jul 06 14:12:48 UTC 2023
PRIMARY
EPA CompTox
DTXSID60100814
Created by admin on Thu Jul 06 14:12:48 UTC 2023 , Edited by admin on Thu Jul 06 14:12:48 UTC 2023
PRIMARY
RS_ITEM_NUM
1A01400
Created by admin on Thu Jul 06 14:12:48 UTC 2023 , Edited by admin on Thu Jul 06 14:12:48 UTC 2023
PRIMARY
PUBCHEM
71748814
Created by admin on Thu Jul 06 14:12:48 UTC 2023 , Edited by admin on Thu Jul 06 14:12:48 UTC 2023
PRIMARY
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